#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a9k s GLN 2 N 0.00 4.31 0.27 2.12 -0.21 -1.26 -0.23 119.66 124.66 3a9k s GLN 2 Ca 0.00 0.45 0.08 0.00 0.02 0.00 0.00 55.36 55.91 3a9k s GLN 2 Cb 0.00 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 3a9k s GLN 2 CO 0.00 0.21 -0.11 0.96 -2.12 0.00 0.00 175.29 174.23 3a9k s ILE 3 N 0.45 1.91 0.03 1.08 -4.36 -0.41 0.12 121.20 120.03 3a9k s ILE 3 Ca 0.26 -2.21 0.03 0.00 -0.26 0.00 0.00 60.65 58.47 3a9k s ILE 3 Cb -0.15 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 3a9k s ILE 3 CO 0.11 -0.38 -0.04 -0.36 0.24 0.00 0.00 174.94 174.51 3a9k s PHE 4 N -2.85 2.95 -0.11 1.37 0.40 0.15 -0.75 117.98 119.15 3a9k s PHE 4 Ca 0.28 -0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 3a9k s PHE 4 Cb 0.01 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.96 3a9k s PHE 4 CO 0.12 0.42 -0.11 0.08 0.70 0.00 0.00 175.22 176.44 3a9k s VAL 5 N -1.11 1.20 -0.30 -0.44 1.01 -0.06 -0.40 120.40 120.31 3a9k s VAL 5 Ca 0.20 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3a9k s VAL 5 Cb -0.11 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3a9k s VAL 5 CO 0.11 0.39 1.05 -0.54 0.00 0.00 0.00 175.10 176.11 3a9k s LYS 6 N 1.37 4.10 0.77 2.72 -0.14 0.12 -1.06 119.74 127.62 3a9k s LYS 6 Ca -0.00 1.10 -0.03 0.00 -1.36 0.00 0.00 55.97 55.67 3a9k s LYS 6 Cb -0.14 -3.72 0.15 0.00 -1.68 0.00 0.00 37.83 32.45 3a9k s LYS 6 CO -0.05 -0.83 1.06 0.95 -0.76 0.00 0.00 175.35 175.72 3a9k s THR 7 N 3.51 2.05 0.44 2.17 -4.23 0.45 -1.01 115.64 119.02 3a9k s THR 7 Ca 0.44 -0.53 0.12 0.00 -1.18 0.00 0.00 61.69 60.55 3a9k s THR 7 Cb -0.13 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.40 3a9k s THR 7 CO 0.13 0.00 2.02 -0.07 -0.54 0.00 0.00 174.62 176.16 3a9k h LEU 8 N -0.73 0.15 -0.04 4.79 3.38 -1.87 -2.39 115.31 118.60 3a9k h LEU 8 Ca -0.36 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3a9k h LEU 8 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3a9k h LEU 8 CO 0.38 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.48 3a9k n THR 9 N -4.39 0.34 -0.26 0.22 -2.24 -1.26 -4.89 114.28 101.80 3a9k n THR 9 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3a9k n THR 9 Cb 0.18 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3a9k n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a9k n GLY 10 N 1.24 0.79 3.89 3.38 0.00 -0.90 -5.07 105.19 108.52 3a9k n GLY 10 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3a9k n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a9k s LYS 11 N -0.64 2.62 -0.05 1.61 1.02 -1.26 -4.80 119.74 118.23 3a9k s LYS 11 Ca 0.00 0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.36 3a9k s LYS 11 Cb 0.00 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 3a9k s LYS 11 CO 0.00 -1.16 -0.20 0.99 -0.92 0.00 0.00 175.35 174.06 3a9k s THR 12 N -3.39 1.70 0.18 2.17 2.01 -1.26 -0.41 115.64 116.64 3a9k s THR 12 Ca 0.59 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.81 3a9k s THR 12 Cb -0.11 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3a9k s THR 12 CO 0.50 0.48 -0.05 0.27 -0.69 0.00 0.00 174.62 175.13 3a9k s ILE 13 N 0.01 3.43 -0.14 1.82 -4.36 -0.22 -4.94 121.20 116.80 3a9k s ILE 13 Ca -0.05 -1.56 -0.08 0.00 -0.26 0.00 0.00 60.65 58.70 3a9k s ILE 13 Cb -0.13 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 3a9k s ILE 13 CO 0.03 -0.11 0.15 0.42 0.24 0.00 0.00 174.94 175.67 3a9k s THR 14 N -1.73 5.47 0.03 8.37 -4.23 -1.26 -0.88 115.64 121.41 3a9k s THR 14 Ca 0.26 0.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.08 3a9k s THR 14 Cb -0.09 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 3a9k s THR 14 CO 0.17 0.57 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.84 3a9k s LEU 15 N -0.65 2.38 -0.33 4.79 1.43 0.07 -4.98 118.68 121.40 3a9k s LEU 15 Ca 0.14 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 3a9k s LEU 15 Cb -0.12 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.69 3a9k s LEU 15 CO 0.03 0.27 0.18 -0.70 0.23 0.00 0.00 176.35 176.36 3a9k s GLU 16 N -1.22 3.22 0.19 1.70 2.56 -1.26 -1.29 118.70 122.60 3a9k s GLU 16 Ca 0.13 -0.81 0.06 0.00 0.00 0.00 0.00 54.97 54.35 3a9k s GLU 16 Cb -0.10 -3.64 -0.05 0.00 2.00 0.00 0.00 34.13 32.34 3a9k s GLU 16 CO 0.03 -0.50 -0.11 0.14 -0.56 0.00 0.00 175.26 174.26 3a9k s VAL 17 N 1.61 1.47 0.47 3.70 -7.23 0.69 -4.85 120.40 116.25 3a9k s VAL 17 Ca 0.04 -2.14 -0.22 0.00 -1.81 0.00 0.00 61.98 57.85 3a9k s VAL 17 Cb -0.18 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.68 3a9k s VAL 17 CO 0.07 -0.62 1.15 -1.61 -0.31 0.00 0.00 175.10 173.77 3a9k s GLU 18 N -3.70 3.72 0.44 4.82 0.41 -1.26 -0.20 118.70 122.93 3a9k s GLU 18 Ca 0.21 1.73 0.18 0.00 -0.41 0.00 0.00 54.97 56.68 3a9k s GLU 18 Cb 0.01 -2.35 1.13 0.00 -1.78 0.00 0.00 34.13 31.14 3a9k s GLU 18 CO 0.05 -0.57 1.90 -1.35 -0.49 0.00 0.00 175.26 174.80 3a9k h PRO 19 N 1.94 0.33 -0.76 0.39 0.11 -1.98 -1.46 132.00 130.57 3a9k h PRO 19 Ca -0.49 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.05 3a9k h PRO 19 Cb 1.25 -0.08 -0.39 0.00 0.11 0.00 0.00 31.00 31.89 3a9k h PRO 19 CO 0.60 0.22 -0.51 0.43 -0.21 0.00 0.00 178.00 178.53 3a9k n SER 20 N -4.46 5.26 -4.71 -2.05 7.64 -1.26 -4.14 113.62 109.88 3a9k n SER 20 Ca 0.16 -3.76 -0.35 0.00 1.01 0.00 0.00 58.87 55.93 3a9k n SER 20 Cb 0.63 -0.46 0.10 0.00 -1.01 0.00 0.00 64.21 63.46 3a9k n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a9k s ASP 21 N -3.27 4.10 0.52 6.43 -1.08 -0.55 -4.37 116.67 118.46 3a9k s ASP 21 Ca 0.53 2.48 -0.19 0.00 -0.52 0.00 0.00 52.55 54.85 3a9k s ASP 21 Cb 0.43 -2.60 -0.07 0.00 -1.46 0.00 0.00 42.92 39.21 3a9k s ASP 21 CO 0.03 -2.33 1.04 0.42 0.52 0.00 0.00 175.17 174.85 3a9k s THR 22 N -1.79 3.80 0.29 1.71 -4.23 -1.26 -0.64 115.64 113.51 3a9k s THR 22 Ca 0.77 1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 62.29 3a9k s THR 22 Cb -0.33 -3.43 0.23 0.00 1.34 0.00 0.00 72.50 70.31 3a9k s THR 22 CO 0.45 -0.33 1.92 0.40 -0.54 0.00 0.00 174.62 176.52 3a9k h ILE 23 N 1.18 1.22 -0.79 2.99 1.08 -1.41 -1.60 117.51 120.17 3a9k h ILE 23 Ca -0.49 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 3a9k h ILE 23 Cb 1.22 0.21 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 3a9k h ILE 23 CO 0.59 0.24 0.43 -0.33 -0.69 0.00 0.00 178.15 178.38 3a9k h GLU 24 N 1.02 1.11 -0.44 2.37 3.07 -1.87 -0.33 114.58 119.51 3a9k h GLU 24 Ca 0.26 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.86 3a9k h GLU 24 Cb 0.01 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 3a9k h GLU 24 CO -0.04 0.82 -0.25 -0.91 -1.40 0.00 0.00 179.01 177.23 3a9k h ASN 25 N 1.11 0.95 -0.47 1.42 -0.26 -1.78 -1.11 115.58 115.44 3a9k h ASN 25 Ca 0.28 -0.37 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3a9k h ASN 25 Cb 0.04 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.01 3a9k h ASN 25 CO -0.04 1.14 0.29 0.58 -1.06 0.00 0.00 177.43 178.33 3a9k h VAL 26 N 0.79 1.14 -0.41 2.81 2.07 -0.76 -0.80 116.25 121.09 3a9k h VAL 26 Ca 0.10 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3a9k h VAL 26 Cb 0.81 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3a9k h VAL 26 CO 0.07 0.14 0.07 0.11 0.02 0.00 0.00 177.57 177.98 3a9k h LYS 27 N 0.63 0.62 -0.75 1.57 1.57 -0.89 -0.67 116.57 118.65 3a9k h LYS 27 Ca 0.17 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3a9k h LYS 27 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3a9k h LYS 27 CO -0.03 0.59 0.23 0.00 -0.57 0.00 0.00 179.45 179.67 3a9k h ALA 28 N 1.48 0.99 -0.54 3.86 0.00 -0.63 0.40 119.26 124.83 3a9k h ALA 28 Ca 0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3a9k h ALA 28 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3a9k h ALA 28 CO 0.00 0.67 -0.12 0.87 0.00 0.00 0.00 179.25 180.67 3a9k h LYS 29 N 1.11 1.02 -0.65 0.00 1.57 -0.64 -1.45 116.57 117.53 3a9k h LYS 29 Ca 0.24 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3a9k h LYS 29 Cb 0.31 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3a9k h LYS 29 CO -0.01 1.07 0.17 0.82 -0.57 0.00 0.00 179.45 180.94 3a9k h ILE 30 N 0.91 1.25 -0.39 1.86 2.04 -0.82 -1.08 117.51 121.27 3a9k h ILE 30 Ca 0.14 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3a9k h ILE 30 Cb 0.69 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3a9k h ILE 30 CO 0.05 0.34 0.19 -0.61 0.00 0.00 0.00 178.15 178.12 3a9k h GLN 31 N 0.97 0.56 -0.67 2.37 4.15 -0.63 0.12 115.11 121.98 3a9k h GLN 31 Ca 0.21 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 3a9k h GLN 31 Cb 0.32 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3a9k h GLN 31 CO -0.00 0.49 0.19 -0.44 -1.93 0.00 0.00 178.83 177.14 3a9k h ASP 32 N 0.49 1.00 0.28 -0.69 3.32 -0.97 0.18 116.42 120.02 3a9k h ASP 32 Ca 0.13 -0.22 -0.34 0.00 0.02 0.00 0.00 57.03 56.63 3a9k h ASP 32 Cb 0.12 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.42 3a9k h ASP 32 CO -0.02 0.96 -1.63 0.50 -1.72 0.00 0.00 179.24 177.32 3a9k h LYS 33 N 0.99 0.39 0.00 3.56 3.64 -1.02 -3.39 116.57 120.74 3a9k h LYS 33 Ca 0.21 -0.67 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3a9k h LYS 33 Cb 0.33 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3a9k h LYS 33 CO -0.00 1.30 -1.55 -1.91 -2.27 0.00 0.00 179.45 175.01 3a9k n GLU 34 N -3.58 0.75 -0.12 1.90 4.07 0.42 -5.03 120.64 119.04 3a9k n GLU 34 Ca -0.21 -0.08 0.00 0.00 -0.06 0.00 0.00 57.16 56.81 3a9k n GLU 34 Cb 1.07 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 31.19 3a9k n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a9k n GLY 35 N 1.98 0.58 3.68 8.31 0.00 0.62 -5.01 105.19 115.35 3a9k n GLY 35 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3a9k n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a9k s ILE 36 N -2.23 4.87 0.36 -0.61 1.01 -1.26 -4.95 121.20 118.40 3a9k s ILE 36 Ca 0.00 1.71 -0.28 0.00 0.00 0.00 0.00 60.65 62.08 3a9k s ILE 36 Cb 0.00 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 3a9k s ILE 36 CO 0.00 0.05 1.51 -2.84 0.00 0.00 0.00 174.94 173.66 3a9k s PRO 37 N 1.97 4.11 0.31 2.79 0.02 -1.26 -3.94 135.00 139.00 3a9k s PRO 37 Ca 0.41 2.58 0.06 0.00 0.02 0.00 0.00 61.00 64.06 3a9k s PRO 37 Cb -0.17 -2.98 0.72 0.00 0.02 0.00 0.00 34.50 32.09 3a9k s PRO 37 CO 0.14 -0.56 1.81 -1.35 -0.33 0.00 0.00 177.00 176.72 3a9k h PRO 38 N 3.38 0.77 -0.25 5.54 0.11 -1.95 0.10 132.00 139.71 3a9k h PRO 38 Ca -0.50 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.63 3a9k h PRO 38 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3a9k h PRO 38 CO 0.67 0.51 0.26 -0.44 -0.21 0.00 0.00 178.00 178.79 3a9k h ASP 39 N 0.80 0.00 0.15 -2.05 5.19 -1.98 -1.64 116.42 116.88 3a9k h ASP 39 Ca 0.54 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 3a9k h ASP 39 Cb 0.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.30 3a9k h ASP 39 CO -0.32 0.00 -0.39 0.00 -3.12 0.00 0.00 179.24 175.41 3a9k n GLN 40 N -3.85 0.88 -3.13 3.56 6.02 0.33 -4.86 117.38 116.34 3a9k n GLN 40 Ca 0.03 -0.62 -0.39 0.00 -0.01 0.00 0.00 57.00 56.01 3a9k n GLN 40 Cb 0.40 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.12 3a9k n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3a9k s GLN 41 N -2.55 4.38 -0.12 -1.09 -0.21 -0.62 -1.85 119.66 117.60 3a9k s GLN 41 Ca 0.20 0.86 0.01 0.00 0.02 0.00 0.00 55.36 56.46 3a9k s GLN 41 Cb 0.19 -3.33 0.02 0.00 1.00 0.00 0.00 33.01 30.88 3a9k s GLN 41 CO 0.57 0.38 -0.15 0.50 -2.12 0.00 0.00 175.29 174.47 3a9k s ARG 42 N -0.29 2.19 -0.15 2.91 6.06 -0.49 -4.69 118.95 124.49 3a9k s ARG 42 Ca 0.33 -0.54 -0.03 0.00 -2.50 0.00 0.00 55.73 52.99 3a9k s ARG 42 Cb -0.19 -1.91 -0.03 0.00 0.06 0.00 0.00 34.95 32.88 3a9k s ARG 42 CO 0.20 -0.11 -0.04 -0.51 -2.50 0.00 0.00 175.30 172.34 3a9k s LEU 43 N 1.12 3.24 -0.08 -0.88 1.43 -1.26 -0.57 118.68 121.68 3a9k s LEU 43 Ca -0.04 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3a9k s LEU 43 Cb -0.14 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3a9k s LEU 43 CO -0.04 0.19 -0.20 -0.63 0.23 0.00 0.00 176.35 175.90 3a9k s ILE 44 N 0.25 2.46 -0.06 -0.59 -1.09 0.34 -0.57 121.20 121.94 3a9k s ILE 44 Ca -0.03 -0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 57.45 3a9k s ILE 44 Cb -0.14 -1.95 0.03 0.00 -1.58 0.00 0.00 42.46 38.82 3a9k s ILE 44 CO 0.03 0.56 0.14 0.12 -1.23 0.00 0.00 174.94 174.56 3a9k s PHE 45 N -0.05 -0.15 -1.46 3.97 5.36 -0.05 -0.81 117.98 124.79 3a9k s PHE 45 Ca -0.06 0.43 -0.10 0.00 -0.96 0.00 0.00 56.93 56.24 3a9k s PHE 45 Cb -0.14 -0.05 0.05 0.00 -0.34 0.00 0.00 43.02 42.54 3a9k s PHE 45 CO 0.05 -0.13 0.82 0.00 -1.46 0.00 0.00 175.22 174.49 3a9k n ALA 46 N 3.83 -1.16 -0.95 11.12 0.00 -1.26 -1.52 120.51 130.57 3a9k n ALA 46 Ca -0.22 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3a9k n ALA 46 Cb 0.54 -4.18 0.00 0.00 0.00 0.00 0.00 19.45 15.81 3a9k n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a9k n GLY 47 N -1.60 0.71 3.44 0.00 0.00 -1.26 -5.01 105.19 101.46 3a9k n GLY 47 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3a9k n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a9k s LYS 48 N -0.20 2.55 0.13 1.61 -0.14 -0.57 -5.11 119.74 118.00 3a9k s LYS 48 Ca 0.00 -0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 53.58 3a9k s LYS 48 Cb 0.00 -2.35 -0.07 0.00 -1.68 0.00 0.00 37.83 33.73 3a9k s LYS 48 CO 0.00 0.56 1.14 -1.14 -0.76 0.00 0.00 175.35 175.15 3a9k s GLN 49 N -0.58 4.52 0.03 1.68 0.74 -1.26 -0.87 119.66 123.93 3a9k s GLN 49 Ca 0.08 1.73 -0.29 0.00 0.05 0.00 0.00 55.36 56.93 3a9k s GLN 49 Cb -0.11 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 3a9k s GLN 49 CO 0.01 -0.07 0.95 -0.51 -0.55 0.00 0.00 175.29 175.12 3a9k s LEU 50 N 0.24 4.41 -0.11 3.68 1.43 0.26 -4.95 118.68 123.64 3a9k s LEU 50 Ca 0.53 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 55.26 3a9k s LEU 50 Cb -0.29 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3a9k s LEU 50 CO 0.33 -0.18 0.04 -1.61 0.23 0.00 0.00 176.35 175.16 3a9k s GLU 51 N 0.62 3.29 0.61 1.70 0.41 -1.26 -4.70 118.70 119.37 3a9k s GLU 51 Ca 0.49 -0.33 -0.18 0.00 -0.41 0.00 0.00 54.97 54.53 3a9k s GLU 51 Cb -0.22 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.13 3a9k s GLU 51 CO 0.28 0.63 1.06 -0.25 -0.49 0.00 0.00 175.26 176.49 3a9k n ASP 52 N 2.39 1.18 0.00 -0.19 10.43 -1.26 -2.19 116.55 126.92 3a9k n ASP 52 Ca -0.19 0.82 0.00 0.00 2.57 0.00 0.00 54.79 57.99 3a9k n ASP 52 Cb 0.54 -1.44 0.00 0.00 1.84 0.00 0.00 41.12 42.06 3a9k n ASP 52 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3a9k n GLY 53 N 1.17 1.61 3.84 0.44 0.00 -1.26 -5.01 105.19 105.98 3a9k n GLY 53 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3a9k n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a9k s ARG 54 N -0.15 2.31 0.38 1.61 1.81 -0.93 -5.02 118.95 118.97 3a9k s ARG 54 Ca 0.00 -1.85 0.08 0.00 -1.72 0.00 0.00 55.73 52.23 3a9k s ARG 54 Cb 0.00 -2.11 -0.07 0.00 -0.45 0.00 0.00 34.95 32.32 3a9k s ARG 54 CO 0.00 -0.33 -0.02 0.95 -0.68 0.00 0.00 175.30 175.22 3a9k s THR 55 N -2.64 2.03 0.34 0.02 -4.23 -1.26 -1.17 115.64 108.72 3a9k s THR 55 Ca 0.39 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.89 3a9k s THR 55 Cb -0.00 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.29 3a9k s THR 55 CO 0.23 -0.08 1.88 -0.07 -0.54 0.00 0.00 174.62 176.04 3a9k h LEU 56 N 1.88 0.74 -1.29 4.79 3.38 -1.08 -1.82 115.31 121.91 3a9k h LEU 56 Ca -0.43 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 3a9k h LEU 56 Cb 1.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3a9k h LEU 56 CO 0.77 0.41 -0.25 0.77 0.09 0.00 0.00 178.44 180.22 3a9k h SER 57 N 0.80 0.00 -0.07 -0.43 4.64 -1.81 -1.57 113.55 115.11 3a9k h SER 57 Ca 0.43 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.77 3a9k h SER 57 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3a9k h SER 57 CO -0.19 0.25 0.07 0.44 -0.87 0.00 0.00 176.83 176.52 3a9k h ASP 58 N 0.00 0.00 -0.37 4.97 3.45 -1.73 -2.32 116.42 120.42 3a9k h ASP 58 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3a9k h ASP 58 Cb 0.67 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 3a9k h ASP 58 CO 0.03 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.48 3a9k n TYR 59 N -4.12 0.49 -3.84 4.55 4.02 -0.66 -4.97 117.16 112.64 3a9k n TYR 59 Ca -0.01 -0.37 -0.29 0.00 -0.01 0.00 0.00 57.90 57.22 3a9k n TYR 59 Cb 0.17 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.52 3a9k n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3a9k n ASN 60 N 0.93 -5.23 -4.68 7.72 4.05 -0.87 -4.95 115.26 112.23 3a9k n ASN 60 Ca 0.15 -0.72 -0.42 0.00 0.45 0.00 0.00 54.58 54.04 3a9k n ASN 60 Cb 0.47 -4.18 -0.04 0.00 1.23 0.00 0.00 39.78 37.27 3a9k n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3a9k s ILE 61 N -3.31 4.86 0.35 -1.44 1.01 -0.75 -5.03 121.20 116.90 3a9k s ILE 61 Ca 0.65 1.73 0.01 0.00 0.00 0.00 0.00 60.65 63.05 3a9k s ILE 61 Cb -0.31 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 3a9k s ILE 61 CO 0.80 0.03 0.05 0.00 0.00 0.00 0.00 174.94 175.82 3a9k n GLN 62 N 5.14 0.88 -1.78 2.79 6.02 -1.26 -4.59 117.38 124.59 3a9k n GLN 62 Ca 0.05 -2.74 -0.41 0.00 -0.01 0.00 0.00 57.00 53.89 3a9k n GLN 62 Cb 0.49 1.06 -0.01 0.00 1.02 0.00 0.00 30.24 32.79 3a9k n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3a9k s LYS 63 N -3.30 4.12 -0.85 -1.09 -2.85 -1.26 -1.62 119.74 112.88 3a9k s LYS 63 Ca 0.07 2.58 0.00 0.00 -1.00 0.00 0.00 55.97 57.62 3a9k s LYS 63 Cb 0.00 -3.02 0.00 0.00 -2.06 0.00 0.00 37.83 32.75 3a9k s LYS 63 CO 0.05 -0.63 0.00 0.39 0.10 0.00 0.00 175.35 175.26 3a9k n GLU 64 N 2.13 -0.91 -1.75 1.78 1.02 0.12 -5.00 120.64 118.02 3a9k n GLU 64 Ca 0.08 0.71 -0.34 0.00 -0.02 0.00 0.00 57.16 57.59 3a9k n GLU 64 Cb 0.37 -4.66 0.06 0.00 -0.02 0.00 0.00 31.44 27.19 3a9k n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3a9k s SER 65 N -2.60 4.84 -0.18 1.62 0.01 -0.64 -4.73 113.70 112.02 3a9k s SER 65 Ca 0.00 2.26 -0.01 0.00 1.31 0.00 0.00 55.95 59.51 3a9k s SER 65 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3a9k s SER 65 CO 0.00 -1.82 -0.13 -0.89 0.41 0.00 0.00 173.24 170.80 3a9k s THR 66 N -1.95 2.72 0.15 1.44 2.01 -1.26 -0.67 115.64 118.08 3a9k s THR 66 Ca 0.73 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3a9k s THR 66 Cb -0.27 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3a9k s THR 66 CO 0.39 0.50 0.26 -0.76 -0.69 0.00 0.00 174.62 174.32 3a9k s LEU 67 N 1.11 4.25 -0.15 4.42 1.43 0.47 -4.86 118.68 125.34 3a9k s LEU 67 Ca 0.00 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3a9k s LEU 67 Cb -0.14 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.25 3a9k s LEU 67 CO -0.04 0.06 -0.16 -1.00 0.23 0.00 0.00 176.35 175.43 3a9k s HIS 68 N -1.74 2.77 -0.14 0.29 3.76 0.01 -0.70 115.29 119.54 3a9k s HIS 68 Ca 0.34 -1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 54.00 3a9k s HIS 68 Cb -0.11 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 3a9k s HIS 68 CO 0.28 -0.49 0.41 -1.17 -0.85 0.00 0.00 174.74 172.91 3a9k s LEU 69 N 0.82 4.26 0.10 0.89 2.96 -0.18 -0.51 118.68 127.03 3a9k s LEU 69 Ca -0.05 0.69 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 3a9k s LEU 69 Cb -0.15 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3a9k s LEU 69 CO -0.00 0.03 -0.11 0.68 -1.32 0.00 0.00 176.35 175.63 3a9k s VAL 70 N 0.61 1.01 0.17 1.68 -7.23 0.27 -4.40 120.40 112.50 3a9k s VAL 70 Ca 0.22 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 3a9k s VAL 70 Cb -0.14 -1.40 -0.08 0.00 0.56 0.00 0.00 36.38 35.32 3a9k s VAL 70 CO 0.08 -0.54 1.22 -0.76 -0.31 0.00 0.00 175.10 174.79 3a9k s LEU 71 N -2.46 4.43 -0.14 1.32 2.01 -1.26 -1.40 118.68 121.19 3a9k s LEU 71 Ca 0.06 2.23 -0.17 0.00 0.01 0.00 0.00 54.13 56.26 3a9k s LEU 71 Cb -0.03 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.53 3a9k s LEU 71 CO 0.01 -0.42 0.45 -0.60 1.01 0.00 0.00 176.35 176.80 3a9k s ARG 72 N 0.02 4.30 0.00 1.70 3.52 -0.77 -4.30 118.95 123.42 3a9k s ARG 72 Ca 0.55 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 3a9k s ARG 72 Cb -0.33 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 3a9k s ARG 72 CO 0.35 0.13 0.00 1.28 -0.81 0.00 0.00 175.30 176.26 3a9k n LEU 73 N 3.81 0.00 -2.43 -0.88 4.77 -1.26 -4.82 117.00 116.18 3a9k n LEU 73 Ca -0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.58 3a9k n LEU 73 Cb 0.51 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3a9k n LEU 73 CO 0.42 0.00 0.99 -1.14 -1.33 0.00 0.00 177.39 176.33 3a9k n ARG 74 N 0.00 3.03 0.00 3.23 0.63 -1.26 -5.07 116.66 117.23 3a9k n ARG 74 Ca 0.00 -3.74 0.00 0.00 -0.92 0.00 0.00 57.85 53.19 3a9k n ARG 74 Cb 0.00 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 30.63 3a9k n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3a9k n GLY 75 N -0.71 -1.42 0.35 5.14 0.00 -1.26 -5.01 105.19 102.28 3a9k n GLY 75 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3a9k n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a9k n GLY 76 N 0.45 0.97 2.50 -0.02 0.00 -1.26 -5.27 105.19 102.56 3a9k n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a9k n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41